2-ethoxyethyl trifluoromethanesulfonate

C10H18F6O8S2 — CID 158120479

IUPAC2-ethoxyethyl trifluoromethanesulfonate
SMILESCCOCCOS(=O)(=O)C(F)(F)F.CCOCCOS(=O)(=O)C(F)(F)F
InChIInChI=1S/2C5H9F3O4S/c2*1-2-11-3-4-12-13(9,10)5(6,7)8/h2*2-4H2,1H3
InChIKeyFRNVAIBSZBVQSV-UHFFFAOYSA-N
MW444.37 g/mol
LogP1.78
Rot. Bonds10

About 2-ethoxyethyl trifluoromethanesulfonate

2-ethoxyethyl trifluoromethanesulfonate (PubChem CID 158120479) has the molecular formula C10H18F6O8S2 and a molecular weight of 444.37 g/mol. Its IUPAC name is 2-ethoxyethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-ethoxyethyl trifluoromethanesulfonate
PubChem CID158120479
Molecular FormulaC10H18F6O8S2
Molecular Weight444.37 g/mol
Exact Mass444.03
IUPAC Name2-ethoxyethyl trifluoromethanesulfonate
SMILESCCOCCOS(=O)(=O)C(F)(F)F.CCOCCOS(=O)(=O)C(F)(F)F
InChIInChI=1S/2C5H9F3O4S/c2*1-2-11-3-4-12-13(9,10)5(6,7)8/h2*2-4H2,1H3
InChIKeyFRNVAIBSZBVQSV-UHFFFAOYSA-N
XLogP1.78
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10621697
2-[2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10647529
2-[2-[2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10839160
2-[2-[2-[2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10816385
Sodium;1,4,7,10,13-pentaoxacyclopentadecane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane
CID 12539716
[2-[2-[1,1-Difluoro-2-(trifluoromethylsulfonyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] trifluoromethanesulfonate
CID 44234113
aquo(1,4,7,10,13,16-hexaoxacyclooctadecane)-bis(trifluoromethanesulfonate)calcium(II)
CID 139159096
Bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 139170048
2-Ethoxyethyl triflate
CID 16050164
2-(2-(2-(Pentafluoroethoxy)tetrafluoroethoxy)-2,2-difluoroethoxy)ethyl methane sulfonate
CID 21225292
Lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate
CID 23717802
[2-(2-Butoxyethoxy)-1,2,2-trifluoroethyl] trifluoromethanesulfonate
CID 54056594

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl trifluoromethanesulfonate?
The IUPAC name of 2-ethoxyethyl trifluoromethanesulfonate (CID 158120479) is 2-ethoxyethyl trifluoromethanesulfonate.
What is the SMILES notation for 2-ethoxyethyl trifluoromethanesulfonate?
The canonical SMILES for 2-ethoxyethyl trifluoromethanesulfonate is CCOCCOS(=O)(=O)C(F)(F)F.CCOCCOS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-ethoxyethyl trifluoromethanesulfonate?
The InChIKey is FRNVAIBSZBVQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9F3O4S/c2*1-2-11-3-4-12-13(9,10)5(6,7)8/h2*2-4H2,1H3.
What are the key properties of 2-ethoxyethyl trifluoromethanesulfonate?
2-ethoxyethyl trifluoromethanesulfonate has a molecular weight of 444.37 g/mol, XLogP of 1.78, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl trifluoromethanesulfonate is sourced from PubChem (CID 158120479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).